E781-0449 Screening compound: 6-(4-benzylpiperazin-1-yl)-N-(4-chlorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

E781-0449 Screening compound: 6-(4-benzylpiperazin-1-yl)-N-(4-chlorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
E781-0449 Screening compound: 6-(4-benzylpiperazin-1-yl)-N-(4-chlorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E781-0449
6-(4-benzylpiperazin-1-yl)-N-(4-chlorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

E781-0449

Molecular Formula

C23H24ClN7 (C23 H24 ClN7)

Compound Name

6-(4-benzylpiperazin-1-yl)-N-(4-chlorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

IUPAC name

6-(4-benzylpiperazin-1-yl)-N-(4-chlorophenyl)-1-methyl-1H-pyrazolo[34-d]pyrimidin-4-amine

SMILES

Cn1ncc2c1nc(N1CCN(Cc3ccccc3)CC1)nc2Nc(cc1)ccc1Cl

InChI

InChI=1S/C23H24ClN7/c1-29-22-20(15-25-29)21(26-19-9-7-18(24)8-10-19)27-23(28-22)31-13-11-30(12-14-31)16-17-5-3-2-4-6-17/h2-10,15H,11-14,16H2,1H3,(H,26,27,28)

InChI Key

MNXAYPIGVNNFJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06746130

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.94

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.803

Distribution Coefficient, logD

4.695

Water Solubility, LogSw

-4.78

Polar Surface Area

49.130

Acid Dissociation Constant (pKa)

14.91

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

E781-0449 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E781-0449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E781-0449?
Check Price and Availability of E781-0449, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E781-0449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E781-0449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E781-0449
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of E781-0449 available by request